2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N'-(1-methylpyrrole-2-carbonyl)-1,3-thiazole-4-carbohydrazide

C25H26N6O3S — CID 3827500

IUPAC2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N'-(1-methylpyrrole-2-carbonyl)-1,3-thiazole-4-carbohydrazide
SMILESCn1cccc1C(=O)NNC(=O)c1csc(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1
InChIInChI=1S/C25H26N6O3S/c1-30-10-4-7-21(30)24(34)29-28-23(33)20-15-35-25(27-20)16-8-11-31(12-9-16)22(32)13-17-14-26-19-6-3-2-5-18(17)19/h2-7,10,14-16,26H,8-9,11-13H2,1H3,(H,28,33)(H,29,34)
InChIKeyDIPUXDZDILJXHV-UHFFFAOYSA-N
MW490.59 g/mol
LogP2.99
Rot. Bonds5

About 2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N'-(1-methylpyrrole-2-carbonyl)-1,3-thiazole-4-carbohydrazide

2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N'-(1-methylpyrrole-2-carbonyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 3827500) has the molecular formula C25H26N6O3S and a molecular weight of 490.59 g/mol. Its IUPAC name is 2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N'-(1-methylpyrrole-2-carbonyl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N'-(1-methylpyrrole-2-carbonyl)-1,3-thiazole-4-carbohydrazide
PubChem CID3827500
Molecular FormulaC25H26N6O3S
Molecular Weight490.59 g/mol
Exact Mass490.18
IUPAC Name2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N'-(1-methylpyrrole-2-carbonyl)-1,3-thiazole-4-carbohydrazide
SMILESCn1cccc1C(=O)NNC(=O)c1csc(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1
InChIInChI=1S/C25H26N6O3S/c1-30-10-4-7-21(30)24(34)29-28-23(33)20-15-35-25(27-20)16-8-11-31(12-9-16)22(32)13-17-14-26-19-6-3-2-5-18(17)19/h2-7,10,14-16,26H,8-9,11-13H2,1H3,(H,28,33)(H,29,34)
InChIKeyDIPUXDZDILJXHV-UHFFFAOYSA-N
XLogP2.99
TPSA112.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,3-diphenylpropyl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3734688
N-(1H-indazol-6-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 23990974
1-[4-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 3573444
N-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3729178
1-[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-phenylethanone
CID 23113298
2-(1H-indol-3-yl)-1-[4-[4-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
CID 3338138
N-(1,1-dioxothiolan-3-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N-methyl-1,3-thiazole-4-carboxamide
CID 3869986
2-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-N'-(1-methylpyrrole-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 3817500
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
CID 141269853
1-[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 11570732
2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N'-(5-methylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 3254871
1-[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 124977730

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N'-(1-methylpyrrole-2-carbonyl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N'-(1-methylpyrrole-2-carbonyl)-1,3-thiazole-4-carbohydrazide (CID 3827500) is 2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N'-(1-methylpyrrole-2-carbonyl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N'-(1-methylpyrrole-2-carbonyl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N'-(1-methylpyrrole-2-carbonyl)-1,3-thiazole-4-carbohydrazide is Cn1cccc1C(=O)NNC(=O)c1csc(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1.
What is the InChIKey of 2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N'-(1-methylpyrrole-2-carbonyl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is DIPUXDZDILJXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3S/c1-30-10-4-7-21(30)24(34)29-28-23(33)20-15-35-25(27-20)16-8-11-31(12-9-16)22(32)13-17-14-26-19-6-3-2-5-18(17)19/h2-7,10,14-16,26H,8-9,11-13H2,1H3,(H,28,33)(H,29,34).
What are the key properties of 2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N'-(1-methylpyrrole-2-carbonyl)-1,3-thiazole-4-carbohydrazide?
2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N'-(1-methylpyrrole-2-carbonyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 490.59 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N'-(1-methylpyrrole-2-carbonyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 3827500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).